3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide

C17H14ClF2NO4 — CID 17496748

IUPAC3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C17H14ClF2NO4/c18-12-8-11(3-5-13(12)25-17(19)20)21-16(22)6-2-10-1-4-14-15(7-10)24-9-23-14/h1,3-5,7-8,17H,2,6,9H2,(H,21,22)
InChIKeyFAVBRGHYORBLAK-UHFFFAOYSA-N
MW369.75 g/mol
LogP4.24
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide (PubChem CID 17496748) has the molecular formula C17H14ClF2NO4 and a molecular weight of 369.75 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
PubChem CID17496748
Molecular FormulaC17H14ClF2NO4
Molecular Weight369.75 g/mol
Exact Mass369.06
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C17H14ClF2NO4/c18-12-8-11(3-5-13(12)25-17(19)20)21-16(22)6-2-10-1-4-14-15(7-10)24-9-23-14/h1,3-5,7-8,17H,2,6,9H2,(H,21,22)
InChIKeyFAVBRGHYORBLAK-UHFFFAOYSA-N
XLogP4.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7943114
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 27286277
3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 17423969
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
CID 7999030

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide (CID 17496748) is 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is FAVBRGHYORBLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO4/c18-12-8-11(3-5-13(12)25-17(19)20)21-16(22)6-2-10-1-4-14-15(7-10)24-9-23-14/h1,3-5,7-8,17H,2,6,9H2,(H,21,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 369.75 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 17496748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).